Ferrous iron in post-perovskite from first-principles calculations

Physics of the Earth and Planetary Interiors

Volumn 168, Issue 3-4, 2008, Pages 147-152

  Caracas, Razvan ^a   Cohen, R E ^a  

^a GEOPHYSICAL LABORATORY   (United States)

Author keywords

Crystal structure; D layer; Density functional theory; Equation of state; Ferrous iron; Iron; Lower mantle; Partitioning; Perovskite; Phase diagram; Post perovskite; Spin transition

Indexed keywords

LITHIUM BATTERIES; OXIDE MINERALS; PEROVSKITE;

CRYSTAL STRUCTURE; DENSITY-FUNCTIONAL THEORY; EQUATION OF STATE; FERROUS IRON; FIRST-PRINCIPLES CALCULATIONS; IRON; LOWER MANTLE; PARTITIONING; PHASE DIAGRAM; POST-PEROVSKITE; SPIN TRANSITION;

SOLID STATE PHYSICS;

BULK MODULUS; CRYSTAL STRUCTURE; EQUATION OF STATE; IRON; LOWER MANTLE; PEROVSKITE; PRESSURE FIELD; TRANSITION ZONE;

EID: 49749127627     PISSN: 00319201     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.pepi.2008.06.002     Document Type: Article

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